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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-(2-ethylphenyl)-1-methyl-thiourea Openeye Name: 1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3-(2-ethylphenyl)-1-methyl-thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-(2-ethylphenyl)-1-methylthiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(2-ethylphenyl)-1-methylthiourea Traditional Name: 1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-3-(2-ethylphenyl)-1-methyl-thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(C)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H23N5O2S/c1-3-15-11-7-8-12-16(15)23-21(29)25(2)17-18(22)26(20(28)24-19(17)27)13-14-9-5-4-6-10-14/h4-12H,3,13,22H2,1-2H3,(H,23,29)(H,24,27,28)