ethyl 4-(2-azanyl-6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-azanyl-6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-amino-6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carboxylate CAS Name: 4-(2-amino-6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-amino-6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-amino-6,7-dimethoxy-9H-pyrimid[4,5-b]indol-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2C4=CC(=C(C=C4N3)OC)OC)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2C4=CC(=C(C=C4N3)OC)OC)N

InChI

InChI=1S/C19H24N6O4/c1-4-29-19(26)25-7-5-24(6-8-25)17-15-11-9-13(27-2)14(28-3)10-12(11)21-16(15)22-18(20)23-17/h9-10H,4-8H2,1-3H3,(H3,20,21,22,23)