1-[6-methyl-5-(phenylmethyl)-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]thiourea

Systemtic Name: 1-[6-methyl-5-(phenylmethyl)-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]thiourea Openeye Name: (5-benzyl-6-methyl-2-thioxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)thiourea CAS Name: [6-methyl-5-(phenylmethyl)-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]thiourea IUPAC Name: (5-benzyl-6-methyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)thiourea Traditional Name: (5-benzyl-6-methyl-2-thioxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)thiourea Formula: C15H15N5S2 MolecularWeight: 329.4431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)NC(=S)N=C2NC(=S)N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1)NC(=S)N=C2NC(=S)N)CC3=CC=CC=C3

InChI

InChI=1S/C15H15N5S2/c1-8-10(7-9-5-3-2-4-6-9)11-12(17-8)19-15(22)20-13(11)18-14(16)21/h2-6H,7H2,1H3,(H5,16,17,18,19,20,21,22)