3-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Openeye Name: 3-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol CAS Name: 3-[[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Traditional Name: 3-[[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Formula: C16H18N6O MolecularWeight: 310.35372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NCCCO

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NCCCO

InChI

InChI=1S/C16H18N6O/c1-11-4-2-5-12(8-11)21-15-14-13(19-10-20-15)9-18-16(22-14)17-6-3-7-23/h2,4-5,8-10,23H,3,6-7H2,1H3,(H,17,18,22)(H,19,20,21)