(6E)-6-[4-[(2-azanyl-3-oxidanyl-propyl)amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-[(2-azanyl-3-oxidanyl-propyl)amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-[(2-amino-3-hydroxy-propyl)amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-[(2-amino-3-hydroxypropyl)amino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-[(2-amino-3-hydroxypropyl)amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-[(2-amino-3-hydroxy-propyl)amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H18N4O2 MolecularWeight: 310.35042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=C3C=CC=CC3=O)N2)NCC(CO)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=N/C(=C/3\C=CC=CC3=O)/N2)NCC(CO)N

InChI

InChI=1S/C17H18N4O2/c18-11(10-22)9-19-16-12-5-1-3-7-14(12)20-17(21-16)13-6-2-4-8-15(13)23/h1-8,11,20,22H,9-10,18H2,(H,19,21)/b17-13+