2-[6-(2-methylphenyl)-2-(oxan-4-ylamino)-8-oxidanylidene-pyrido[3,4-d]pyrimidin-7-yl]ethanamide

Systemtic Name: 2-[6-(2-methylphenyl)-2-(oxan-4-ylamino)-8-oxidanylidene-pyrido[3,4-d]pyrimidin-7-yl]ethanamide Openeye Name: 2-[6-(o-tolyl)-8-oxo-2-(tetrahydropyran-4-ylamino)pyrido[3,4-d]pyrimidin-7-yl]acetamide CAS Name: 2-[6-(2-methylphenyl)-2-(4-oxanylamino)-8-oxo-7-pyrido[3,4-d]pyrimidinyl]acetamide IUPAC Name: 2-[6-(2-methylphenyl)-2-(oxan-4-ylamino)-8-oxopyrido[3,4-d]pyrimidin-7-yl]acetamide Traditional Name: 2-[8-keto-6-(o-tolyl)-2-(tetrahydropyran-4-ylamino)pyrido[3,4-d]pyrimidin-7-yl]acetamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=CN=C(N=C3C(=O)N2CC(=O)N)NC4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=CN=C(N=C3C(=O)N2CC(=O)N)NC4CCOCC4

InChI

InChI=1S/C21H23N5O3/c1-13-4-2-3-5-16(13)17-10-14-11-23-21(24-15-6-8-29-9-7-15)25-19(14)20(28)26(17)12-18(22)27/h2-5,10-11,15H,6-9,12H2,1H3,(H2,22,27)(H,23,24,25)