(E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1,4-diazepan-1-yl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-3-(2-thienyl)prop-2-en-1-one Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCN(CC3)C(=O)C=CC4=CC=CS4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCN(CC3)C(=O)/C=C/C4=CC=CS4)N)OC

InChI

InChI=1S/C22H25N5O3S/c1-29-18-13-16-17(14-19(18)30-2)24-22(25-21(16)23)27-9-4-8-26(10-11-27)20(28)7-6-15-5-3-12-31-15/h3,5-7,12-14H,4,8-11H2,1-2H3,(H2,23,24,25)/b7-6+