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

Systemtic Name: N4-(3-bromophenyl)-N6-prop-2-ynyl-pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-prop-2-ynyl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-prop-2-ynylpyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-prop-2-ynylpyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]-propargyl-amine Formula: C15H11BrN6 MolecularWeight: 355.19204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN6/c1-2-6-17-15-18-8-12-13(22-15)14(20-9-19-12)21-11-5-3-4-10(16)7-11/h1,3-5,7-9H,6H2,(H,17,18,22)(H,19,20,21)