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

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

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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)NCC3=CC=CC=C3

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-2-25(21(29)23-13-15-9-5-3-6-10-15)17-18(22)26(20(28)24-19(17)27)14-16-11-7-4-8-12-16/h3-12H,2,13-14,22H2,1H3,(H,23,29)(H,24,27,28)