methyl 2-azanyl-4-(1,4-diazepan-1-yl)-[1]benzofuro[3,2-d]pyrimidine-8-carboxylate

Systemtic Name: methyl 2-azanyl-4-(1,4-diazepan-1-yl)-[1]benzofuro[3,2-d]pyrimidine-8-carboxylate Openeye Name: methyl 2-amino-4-(1,4-diazepan-1-yl)benzofuro[3,2-d]pyrimidine-8-carboxylate CAS Name: 2-amino-4-(1,4-diazepan-1-yl)-8-benzofuro[3,2-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(1,4-diazepan-1-yl)-[1]benzofuro[3,2-d]pyrimidine-8-carboxylate Traditional Name: 2-amino-4-(1,4-diazepan-1-yl)benzofuro[3,2-d]pyrimidine-8-carboxylic acid methyl ester Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC3=C2N=C(N=C3N4CCCNCC4)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC3=C2N=C(N=C3N4CCCNCC4)N

InChI

InChI=1S/C17H19N5O3/c1-24-16(23)10-3-4-12-11(9-10)13-14(25-12)15(21-17(18)20-13)22-7-2-5-19-6-8-22/h3-4,9,19H,2,5-8H2,1H3,(H2,18,20,21)