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

Systemtic Name: N4-(3-ethynylphenyl)-N6-prop-2-ynyl-pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-ethynylphenyl)-N6-prop-2-ynyl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-ethynylphenyl)-N6-prop-2-ynylpyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-ethynylphenyl)-6-N-prop-2-ynylpyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-propargyl-amine Formula: C17H12N6 MolecularWeight: 300.31738

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC=C2C(=N1)C(=NC=N2)NC3=CC=CC(=C3)C#C

Isomeric SMILES

C#CCNC1=NC=C2C(=N1)C(=NC=N2)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C17H12N6/c1-3-8-18-17-19-10-14-15(23-17)16(21-11-20-14)22-13-7-5-6-12(4-2)9-13/h1-2,5-7,9-11H,8H2,(H,18,19,23)(H,20,21,22)