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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-cyclohexyl-1-ethyl-thiourea Openeye Name: 1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3-cyclohexyl-1-ethyl-thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-cyclohexyl-1-ethylthiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-1-ethylthiourea Traditional Name: 1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-3-cyclohexyl-1-ethyl-thiourea Formula: C20H27N5O2S MolecularWeight: 401.52568

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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)NC3CCCCC3

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC3CCCCC3

InChI

InChI=1S/C20H27N5O2S/c1-2-24(20(28)22-15-11-7-4-8-12-15)16-17(21)25(19(27)23-18(16)26)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13,21H2,1H3,(H,22,28)(H,23,26,27)