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

Systemtic Name: 2-[[4-[(3-ethynylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Openeye Name: 2-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol CAS Name: 2-[[4-(3-ethynylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 2-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Traditional Name: 2-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Formula: C17H16N6O MolecularWeight: 320.34854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O/c1-3-12-5-4-6-13(7-12)22-16-15-14(19-10-20-16)8-18-17(23-15)21-11(2)9-24/h1,4-8,10-11,24H,9H2,2H3,(H,18,21,23)(H,19,20,22)