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

Systemtic Name: 6-methylsulfanyl-N-(3-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-benzyloxyphenyl)-6-methylsulfanyl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: 6-(methylthio)-N-(3-phenylmethoxyphenyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: 6-methylsulfanyl-N-(3-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-benzoxyphenyl)-[6-(methylthio)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5OS/c1-27-20-21-11-17-18(25-20)19(23-13-22-17)24-15-8-5-9-16(10-15)26-12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,22,23,24)