(4,5-Diamino-1-cyano-9-methyl-2H-chromeno[3,4-C]pyridin-2-yl)malononitrile

SpectraBase Compound ID	AeDAjUSU6ul
InChI	InChI=1S/C17H12N6O/c1-8-2-3-12-10(4-8)13-11(7-20)15(9(5-18)6-19)23-16(21)14(13)17(22)24-12/h2-4,9,15H,22H2,1H3,(H2,21,23)
InChIKey	IPSXIMZMKACSMH-UHFFFAOYSA-N Google Search
Mol Weight	316.32 g/mol
Molecular Formula	C17H12N6O
Exact Mass	316.107259 g/mol

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SpectraBase Spectrum ID	E4OzPRZEQOJ
Name	(4,5-Diamino-1-cyano-9-methyl-2H-chromeno[3,4-C]pyridin-2-yl)malononitrile
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	316.107259029 u
Formula	C17H12N6O
InChI	InChI=1S/C17H12N6O/c1-8-2-3-12-10(4-8)13-11(7-20)15(9(5-18)6-19)23-16(21)14(13)17(22)24-12/h2-4,9,15H,22H2,1H3,(H2,21,23)
InChIKey	IPSXIMZMKACSMH-UHFFFAOYSA-N
Molecular Weight	316.324 g/mol
SMILES	C1(=C2C(=NC(C(C#N)=C2C=2C(O1)=CC=C(C2)C)C(C#N)C#N)N)N
Spectrum/Structure Validation Score (Vapor Phase IR)	0.962855