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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-1-ethyl-3-(3-ethylphenyl)thiourea Openeye Name: 1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-1-ethyl-3-(3-ethylphenyl)thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-1-ethyl-3-(3-ethylphenyl)thiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-3-(3-ethylphenyl)thiourea Traditional Name: 1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-1-ethyl-3-(3-ethylphenyl)thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N(CC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N(CC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C22H25N5O2S/c1-3-15-11-8-12-17(13-15)24-22(30)26(4-2)18-19(23)27(21(29)25-20(18)28)14-16-9-6-5-7-10-16/h5-13H,3-4,14,23H2,1-2H3,(H,24,30)(H,25,28,29)