[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl] carbamimidothioate

Systemtic Name: [4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl] carbamimidothioate Openeye Name: 2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)isothiourea CAS Name: carbamimidothioic acid [4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl] ester IUPAC Name: (6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl) carbamimidothioate Traditional Name: 2-(6-amino-1-benzyl-2,4-diketo-3-methyl-pyrimidin-5-yl)isothiourea Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)SC(=N)N

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)SC(=N)N

InChI

InChI=1S/C13H15N5O2S/c1-17-11(19)9(21-12(15)16)10(14)18(13(17)20)7-8-5-3-2-4-6-8/h2-6H,7,14H2,1H3,(H3,15,16)