2-azanyl-5,6-bis[(3-chlorophenyl)sulfanyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5,6-bis[(3-chlorophenyl)sulfanyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5,6-bis[(3-chlorophenyl)sulfanyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5,6-bis[(3-chlorophenyl)thio]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-5,6-bis[(3-chlorophenyl)sulfanyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5,6-bis[(3-chlorophenyl)thio]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C18H12Cl2N4OS2 MolecularWeight: 435.35008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)SC2=C(NC3=C2C(=O)N=C(N3)N)SC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)SC2=C(NC3=C2C(=O)N=C(N3)N)SC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H12Cl2N4OS2/c19-9-3-1-5-11(7-9)26-14-13-15(23-18(21)24-16(13)25)22-17(14)27-12-6-2-4-10(20)8-12/h1-8H,(H4,21,22,23,24,25)