N-(2,3-dimethylphenyl)-1-pteridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-1-pteridin-4-yl-piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-pteridin-4-yl-piperidine-4-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-(4-pteridinyl)-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-pteridin-4-ylpiperidine-4-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-1-pteridin-4-yl-isonipecotamide Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=NC=CN=C43)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=NC=CN=C43)C

InChI

InChI=1S/C20H22N6O/c1-13-4-3-5-16(14(13)2)25-20(27)15-6-10-26(11-7-15)19-17-18(23-12-24-19)22-9-8-21-17/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3,(H,25,27)