2-azanyl-1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-(1H-indol-2-yl)propan-1-one

Systemtic Name: 2-azanyl-1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-(1H-indol-2-yl)propan-1-one Openeye Name: 2-amino-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-(1H-indol-2-yl)propan-1-one CAS Name: 2-amino-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-3-(1H-indol-2-yl)-1-propanone IUPAC Name: 2-amino-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-(1H-indol-2-yl)propan-1-one Traditional Name: 2-amino-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-3-(1H-indol-2-yl)propan-1-one Formula: C29H31N9O3 MolecularWeight: 553.61494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)C(CC5=CC6=CC=CC=C6N5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)C(CC5=CC6=CC=CC=C6N5)N)OC

InChI

InChI=1S/C29H31N9O3/c1-40-23-8-7-18(14-24(23)41-2)22-16-32-26-25(34-22)27(36-29(31)35-26)37-9-11-38(12-10-37)28(39)20(30)15-19-13-17-5-3-4-6-21(17)33-19/h3-8,13-14,16,20,33H,9-12,15,30H2,1-2H3,(H2,31,32,35,36)