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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-cyclopropyl-1-(phenylmethyl)thiourea Openeye Name: 1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-1-benzyl-3-cyclopropyl-thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-cyclopropyl-1-(phenylmethyl)thiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-3-cyclopropylthiourea Traditional Name: 1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-1-benzyl-3-cyclopropyl-thiourea Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N(CC2=CC=CC=C2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

Isomeric SMILES

C1CC1NC(=S)N(CC2=CC=CC=C2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

InChI

InChI=1S/C22H23N5O2S/c23-19-18(20(28)25-21(29)27(19)14-16-9-5-2-6-10-16)26(22(30)24-17-11-12-17)13-15-7-3-1-4-8-15/h1-10,17H,11-14,23H2,(H,24,30)(H,25,28,29)