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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-cyclohexyl-1-propyl-thiourea Openeye Name: 1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3-cyclohexyl-1-propyl-thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-cyclohexyl-1-propylthiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-1-propylthiourea Traditional Name: 1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-3-cyclohexyl-1-propyl-thiourea Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2S/c1-2-13-25(21(29)23-16-11-7-4-8-12-16)17-18(22)26(20(28)24-19(17)27)14-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14,22H2,1H3,(H,23,29)(H,24,27,28)