5,6-bis(azanyl)-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5,6-bis(azanyl)-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5,6-diamino-1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-2-thioxo-pyrimidin-4-one CAS Name: 5,6-diamino-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5,6-diamino-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-sulfanylidenepyrimidin-4-one Traditional Name: 5,6-diamino-1-(3-benzoxy-4-methoxy-benzyl)-2-thioxo-pyrimidin-4-one Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=C(C(=O)NC2=S)N)N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=C(C(=O)NC2=S)N)N)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-25-14-8-7-13(9-15(14)26-11-12-5-3-2-4-6-12)10-23-17(21)16(20)18(24)22-19(23)27/h2-9H,10-11,20-21H2,1H3,(H,22,24,27)