1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-1,4-diazepan-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-1,4-diazepan-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-1,4-diazepan-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1,4-diazepan-1-yl]-2-phenoxyethanone IUPAC Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-1,4-diazepan-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-1,4-diazepan-1-yl]-2-phenoxy-ethanone Formula: C27H29N7O4 MolecularWeight: 515.56366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCCN(CC4)C(=O)COC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCCN(CC4)C(=O)COC5=CC=CC=C5)OC

InChI

InChI=1S/C27H29N7O4/c1-36-21-10-9-18(15-22(21)37-2)20-16-29-25-24(30-20)26(32-27(28)31-25)34-12-6-11-33(13-14-34)23(35)17-38-19-7-4-3-5-8-19/h3-5,7-10,15-16H,6,11-14,17H2,1-2H3,(H2,28,29,31,32)