6-azanyl-1-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 6-azanyl-1-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-amino-1-[2-(5-benzyloxy-1H-indol-3-yl)ethyl]-2-thioxo-pyrimidin-4-one CAS Name: 6-amino-1-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-amino-1-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-amino-1-[2-(5-benzoxy-1H-indol-3-yl)ethyl]-2-thioxo-pyrimidin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN4C(=CC(=O)NC4=S)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN4C(=CC(=O)NC4=S)N

InChI

InChI=1S/C21H20N4O2S/c22-19-11-20(26)24-21(28)25(19)9-8-15-12-23-18-7-6-16(10-17(15)18)27-13-14-4-2-1-3-5-14/h1-7,10-12,23H,8-9,13,22H2,(H,24,26,28)