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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-2-26(22(30)24-14-13-16-9-5-3-6-10-16)18-19(23)27(21(29)25-20(18)28)15-17-11-7-4-8-12-17/h3-12H,2,13-15,23H2,1H3,(H,24,30)(H,25,28,29)