2-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1-pyrrolidino-ethanone Formula: C19H21N7O MolecularWeight: 363.41634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NCC(=O)N4CCCC4

InChI

InChI=1S/C19H21N7O/c1-13-5-4-6-14(9-13)24-18-17-15(22-12-23-18)10-20-19(25-17)21-11-16(27)26-7-2-3-8-26/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,20,21,25)(H,22,23,24)