N-(4-azanyl-2-phenylmethoxy-pyrimidin-5-yl)-2-methoxy-4-methyl-N-sulfanyl-benzamide

Systemtic Name: N-(4-azanyl-2-phenylmethoxy-pyrimidin-5-yl)-2-methoxy-4-methyl-N-sulfanyl-benzamide Openeye Name: N-(4-amino-2-benzyloxy-pyrimidin-5-yl)-2-methoxy-4-methyl-N-sulfanyl-benzamide CAS Name: N-(4-amino-2-phenylmethoxy-5-pyrimidinyl)-N-mercapto-2-methoxy-4-methylbenzamide IUPAC Name: N-(4-amino-2-phenylmethoxypyrimidin-5-yl)-2-methoxy-4-methyl-N-sulfanylbenzamide Traditional Name: N-(4-amino-2-benzoxy-pyrimidin-5-yl)-N-mercapto-2-methoxy-4-methyl-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N(C2=CN=C(N=C2N)OCC3=CC=CC=C3)S)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N(C2=CN=C(N=C2N)OCC3=CC=CC=C3)S)OC

InChI

InChI=1S/C20H20N4O3S/c1-13-8-9-15(17(10-13)26-2)19(25)24(28)16-11-22-20(23-18(16)21)27-12-14-6-4-3-5-7-14/h3-11,28H,12H2,1-2H3,(H2,21,22,23)