4-[[7-ethyl-5-methyl-8-(3-methylbutyl)-6-oxidanylidene-7H-pteridin-2-yl]amino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-[[7-ethyl-5-methyl-8-(3-methylbutyl)-6-oxidanylidene-7H-pteridin-2-yl]amino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[(7-ethyl-8-isopentyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[7-ethyl-5-methyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[[7-ethyl-5-methyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[(7-ethyl-8-isoamyl-6-keto-5-methyl-7H-pteridin-2-yl)amino]-N-(3-pyridylmethyl)benzamide Formula: C27H33N7O2 MolecularWeight: 487.59662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C

Isomeric SMILES

CCC1C(=O)N(C2=CN=C(N=C2N1CCC(C)C)NC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C

InChI

InChI=1S/C27H33N7O2/c1-5-22-26(36)33(4)23-17-30-27(32-24(23)34(22)14-12-18(2)3)31-21-10-8-20(9-11-21)25(35)29-16-19-7-6-13-28-15-19/h6-11,13,15,17-18,22H,5,12,14,16H2,1-4H3,(H,29,35)(H,30,31,32)