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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N(CC1=CC=CC=C1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)NC(=S)N(CC1=CC=CC=C1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

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