2-[[4-[(3-ethynylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methyl-propan-1-ol

Systemtic Name: 2-[[4-[(3-ethynylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methyl-propan-1-ol Openeye Name: 2-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methyl-propan-1-ol CAS Name: 2-[[4-(3-ethynylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-2-methyl-1-propanol IUPAC Name: 2-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-1-ol Traditional Name: 2-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methyl-propan-1-ol Formula: C18H18N6O MolecularWeight: 334.37512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC1=NC=C2C(=N1)C(=NC=N2)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC(C)(CO)NC1=NC=C2C(=N1)C(=NC=N2)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C18H18N6O/c1-4-12-6-5-7-13(8-12)22-16-15-14(20-11-21-16)9-19-17(23-15)24-18(2,3)10-25/h1,5-9,11,25H,10H2,2-3H3,(H,19,23,24)(H,20,21,22)