Cholest-3-eno[3,4-d]pyrimidine, 2'-chloro-

SpectraBase Compound ID	JEXCoEE7cvO
InChI	InChI=1S/C29H45ClN2/c1-18(2)7-6-8-19(3)22-11-12-23-21-9-10-25-26-20(17-31-27(30)32-26)13-15-29(25,5)24(21)14-16-28(22,23)4/h17-19,21-25H,6-16H2,1-5H3
InChIKey	MCPDGNPTVHLKNU-UHFFFAOYSA-N Google Search
Mol Weight	457.1 g/mol
Molecular Formula	C29H45ClN2
Exact Mass	456.327127 g/mol

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SpectraBase Spectrum ID	BRpfJSwKSfV
Name	2-CHLORO-9-(1,5-DIMETHYLHEXYL)-6A,8A-DIMETHYL-6,6A,6B,7,8,8A,9,10,11,11A,11B,12,13,13A-TETRADECAHYDRO-5H-CYCLOPENTA[5,6]NAPHTHO[1,2-H]QUINAZOLINE
Copyright	Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass	456.327127157 u
Formula	C29H45ClN2
InChI	InChI=1S/C29H45ClN2/c1-18(2)7-6-8-19(3)22-11-12-23-21-9-10-25-26-20(17-31-27(30)32-26)13-15-29(25,5)24(21)14-16-28(22,23)4/h17-19,21-25H,6-16H2,1-5H3
InChIKey	MCPDGNPTVHLKNU-UHFFFAOYSA-N
Molecular Weight	457.146 g/mol
Nominal Mass	456 u
Number of Peaks	188
SMILES	c1(nc2C3C(CCc2cn1)(C1CCC2(C(C1CC3)CCC2C(CCCC(C)C)C)C)C)Cl
SPLASH	splash10-066v-9300000000-fceb3373a59e098f77b3
Source File Reference	LMCM-59031-710H
Synonyms	16-chloro-1,5-dimethyl-6-(6-methylheptan-2-yl)-15,17-diazapentacyclo[11.8.0.0(2,10).0(5,9).0(14,19)]henicosa-14,16,18-triene
Wiley ID	8_8634