(6E)-6-[4-[[(2S)-2-azanyl-4-methylsulfanyl-butyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-[[(2S)-2-azanyl-4-methylsulfanyl-butyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-[[(2S)-2-amino-4-methylsulfanyl-butyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-[[(2S)-2-amino-4-(methylthio)butyl]amino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-[[(2S)-2-amino-4-methylsulfanylbutyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-[[(2S)-2-amino-4-(methylthio)butyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CNC1=NC(=C2C=CC=CC2=O)NC3=CC=CC=C31)N

Isomeric SMILES

CSCC[C@@H](CNC1=N/C(=C/2\C=CC=CC2=O)/NC3=CC=CC=C31)N

InChI

InChI=1S/C19H22N4OS/c1-25-11-10-13(20)12-21-18-14-6-2-4-8-16(14)22-19(23-18)15-7-3-5-9-17(15)24/h2-9,13,22H,10-12,20H2,1H3,(H,21,23)/b19-15+/t13-/m0/s1