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

Systemtic Name: 4-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-1-ol Openeye Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-1-ol CAS Name: 4-[[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-butanol IUPAC Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-1-ol Traditional Name: 4-[[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-1-ol Formula: C17H20N6O MolecularWeight: 324.3803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O/c1-12-5-4-6-13(9-12)22-16-15-14(20-11-21-16)10-19-17(23-15)18-7-2-3-8-24/h4-6,9-11,24H,2-3,7-8H2,1H3,(H,18,19,23)(H,20,21,22)