2-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-6-methoxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-6-methoxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-6-methoxy-1,4-benzoquinone CAS Name: 2-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-6-methoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-6-methoxy-p-benzoquinone Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C=C(C1=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

Isomeric SMILES

COC1=CC(=O)C=C(C1=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

InChI

InChI=1S/C21H23N5O5/c1-29-16-10-13-14(11-17(16)30-2)23-21(24-20(13)22)26-6-4-25(5-7-26)15-8-12(27)9-18(31-3)19(15)28/h8-11H,4-7H2,1-3H3,(H2,22,23,24)