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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-butyl-1-(phenylmethyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-benzyl-3-butyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-butyl-1-(phenylmethyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-3-butylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-benzyl-3-butyl-thiourea Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1=CC=CC=C1)C2=C(N(C(=O)NC2=O)CCCC)N

Isomeric SMILES

CCCCNC(=S)N(CC1=CC=CC=C1)C2=C(N(C(=O)NC2=O)CCCC)N

InChI

InChI=1S/C20H29N5O2S/c1-3-5-12-22-20(28)25(14-15-10-8-7-9-11-15)16-17(21)24(13-6-4-2)19(27)23-18(16)26/h7-11H,3-6,12-14,21H2,1-2H3,(H,22,28)(H,23,26,27)