[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-(1-naphthyl)methanone Formula: C29H27N7O3 MolecularWeight: 521.56978

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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)C5=CC=CC6=CC=CC=C65)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)C5=CC=CC6=CC=CC=C65)OC

InChI

InChI=1S/C29H27N7O3/c1-38-23-11-10-19(16-24(23)39-2)22-17-31-26-25(32-22)27(34-29(30)33-26)35-12-14-36(15-13-35)28(37)21-9-5-7-18-6-3-4-8-20(18)21/h3-11,16-17H,12-15H2,1-2H3,(H2,30,31,33,34)