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

Systemtic Name: naphthalen-2-yl 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate Openeye Name: 2-naphthyl 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinecarboxylic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylic acid 2-naphthyl ester Formula: C29H27N7O4 MolecularWeight: 537.56918

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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)OC5=CC6=CC=CC=C6C=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)OC5=CC6=CC=CC=C6C=C5)OC

InChI

InChI=1S/C29H27N7O4/c1-38-23-10-8-20(16-24(23)39-2)22-17-31-26-25(32-22)27(34-28(30)33-26)35-11-13-36(14-12-35)29(37)40-21-9-7-18-5-3-4-6-19(18)15-21/h3-10,15-17H,11-14H2,1-2H3,(H2,30,31,33,34)