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

Systemtic Name: N4-(3-methylphenyl)-N6-prop-2-ynyl-pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(m-tolyl)-N6-prop-2-ynyl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-methylphenyl)-N6-prop-2-ynylpyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylphenyl)-6-N-prop-2-ynylpyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]-propargyl-amine Formula: C16H14N6 MolecularWeight: 290.32256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NCC#C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NCC#C

InChI

InChI=1S/C16H14N6/c1-3-7-17-16-18-9-13-14(22-16)15(20-10-19-13)21-12-6-4-5-11(2)8-12/h1,4-6,8-10H,7H2,2H3,(H,17,18,22)(H,19,20,21)