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

Systemtic Name: (6E)-6-[4-[[(2S)-2-azanylpentyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-[[(2S)-2-aminopentyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-[[(2S)-2-aminopentyl]amino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-[[(2S)-2-aminopentyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-[[(2S)-2-aminopentyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C19H22N4O MolecularWeight: 322.40418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O/c1-2-7-13(20)12-21-18-14-8-3-5-10-16(14)22-19(23-18)15-9-4-6-11-17(15)24/h3-6,8-11,13,22H,2,7,12,20H2,1H3,(H,21,23)/b19-15+/t13-/m0/s1