N-(3-ethynylphenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-ethynylphenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-ethynylphenyl)-6-(methylthio)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-ethynylphenyl)-6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-ethynylphenyl)-[6-(methylthio)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C15H11N5S MolecularWeight: 293.34634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C15H11N5S/c1-3-10-5-4-6-11(7-10)19-14-13-12(17-9-18-14)8-16-15(20-13)21-2/h1,4-9H,2H3,(H,17,18,19)