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

Systemtic Name: N-(3-chloranyl-4-phenylmethoxy-phenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(4-benzyloxy-3-chloro-phenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-phenylmethoxyphenyl)-6-(methylthio)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-phenylmethoxyphenyl)-6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (4-benzoxy-3-chloro-phenyl)-[6-(methylthio)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C20H16ClN5OS/c1-28-20-22-10-16-18(26-20)19(24-12-23-16)25-14-7-8-17(15(21)9-14)27-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,23,24,25)