2-(Isopropylamino)-3-(triphenylphosphoranylidene)aminobenzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one

SpectraBase Compound ID	13WYy0IEi8e
InChI	InChI=1S/C31H27N4OPS/c1-22(2)32-31-33-28-26-20-12-13-21-27(26)38-29(28)30(36)35(31)34-37(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-22H,1-2H3,(H,32,33)
InChIKey	ONLRPHADINPSLJ-UHFFFAOYSA-N Google Search
Mol Weight	534.62 g/mol
Molecular Formula	C31H27N4OPS
Exact Mass	534.16432 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	5E1aPGank9a
Name	2-(Isopropylamino)-3-(triphenylphosphoranylidene)aminobenzo[4,5]thieno[3,2-D]pyrimidin-4(3H)-one
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	534.164319676 u
Formula	C31H27N4OPS
InChI	InChI=1S/C31H27N4OPS/c1-22(2)32-31-33-28-26-20-12-13-21-27(26)38-29(28)30(36)35(31)34-37(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-22H,1-2H3,(H,32,33)
InChIKey	ONLRPHADINPSLJ-UHFFFAOYSA-N
Molecular Weight	534.618 g/mol
SMILES	C=1(N(C(C2=C(N1)C1=CC=CC=C1S2)=O)N=P(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1)NC(C)C