N4-(3-ethynylphenyl)-N6-propan-2-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-ethynylphenyl)-N6-propan-2-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-ethynylphenyl)-N6-isopropyl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-ethynylphenyl)-N6-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-ethynylphenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-isopropyl-amine Formula: C17H16N6 MolecularWeight: 304.34914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6/c1-4-12-6-5-7-13(8-12)22-16-15-14(19-10-20-16)9-18-17(23-15)21-11(2)3/h1,5-11H,2-3H3,(H,18,21,23)(H,19,20,22)