1-[3-azanyl-6-(3-methoxy-4-phenylmethoxy-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethanone

Systemtic Name: 1-[3-azanyl-6-(3-methoxy-4-phenylmethoxy-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethanone Openeye Name: 1-[3-amino-6-(4-benzyloxy-3-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-5-yl]ethanone CAS Name: 1-[3-amino-6-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethanone IUPAC Name: 1-[3-amino-6-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethanone Traditional Name: 1-[3-amino-6-(4-benzoxy-3-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-5-yl]ethanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)C

Isomeric SMILES

CC1=C(C(NC(=S)N1N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)C

InChI

InChI=1S/C21H23N3O3S/c1-13-19(14(2)25)20(23-21(28)24(13)22)16-9-10-17(18(11-16)26-3)27-12-15-7-5-4-6-8-15/h4-11,20H,12,22H2,1-3H3,(H,23,28)