6-azanyl-1-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-5-(2-methylpropylamino)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 6-azanyl-1-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-5-(2-methylpropylamino)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-amino-1-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-5-(isobutylamino)-2-thioxo-pyrimidin-4-one CAS Name: 6-amino-1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-5-(2-methylpropylamino)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-amino-1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-5-(2-methylpropylamino)-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-amino-1-[3-(cyclopentoxy)-4-methoxy-benzyl]-5-(isobutylamino)-2-thioxo-pyrimidin-4-one Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(N(C(=S)NC1=O)CC2=CC(=C(C=C2)OC)OC3CCCC3)N

Isomeric SMILES

CC(C)CNC1=C(N(C(=S)NC1=O)CC2=CC(=C(C=C2)OC)OC3CCCC3)N

InChI

InChI=1S/C21H30N4O3S/c1-13(2)11-23-18-19(22)25(21(29)24-20(18)26)12-14-8-9-16(27-3)17(10-14)28-15-6-4-5-7-15/h8-10,13,15,23H,4-7,11-12,22H2,1-3H3,(H,24,26,29)