(6E)-6-[4-(2-azanylethylamino)-5-chloranyl-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-(2-azanylethylamino)-5-chloranyl-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(2-aminoethylamino)-5-chloro-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(2-aminoethylamino)-5-chloro-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(2-aminoethylamino)-5-chloro-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(2-aminoethylamino)-5-chloro-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H15ClN4O MolecularWeight: 314.7695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NC3=C(C(=CC=C3)Cl)C(=N2)NCCN)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C\2/NC3=C(C(=CC=C3)Cl)C(=N2)NCCN)/C(=O)C=C1

InChI

InChI=1S/C16H15ClN4O/c17-11-5-3-6-12-14(11)16(19-9-8-18)21-15(20-12)10-4-1-2-7-13(10)22/h1-7,20H,8-9,18H2,(H,19,21)/b15-10+