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

Systemtic Name: N-(3-chloranyl-4-phenoxy-phenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-phenoxy-phenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-phenoxyphenyl)-6-(methylthio)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-phenoxyphenyl)-6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-phenoxy-phenyl)-[6-(methylthio)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C19H14ClN5OS MolecularWeight: 395.86536

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C19H14ClN5OS/c1-27-19-21-10-15-17(25-19)18(23-11-22-15)24-12-7-8-16(14(20)9-12)26-13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23,24)