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

Systemtic Name: N4-(3-nitrophenyl)-N6-prop-2-ynyl-pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-nitrophenyl)-N6-prop-2-ynyl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-nitrophenyl)-N6-prop-2-ynylpyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-nitrophenyl)-6-N-prop-2-ynylpyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]-propargyl-amine Formula: C15H11N7O2 MolecularWeight: 321.29354

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C#CCNC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N7O2/c1-2-6-16-15-17-8-12-13(21-15)14(19-9-18-12)20-10-4-3-5-11(7-10)22(23)24/h1,3-5,7-9H,6H2,(H,16,17,21)(H,18,19,20)