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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C20H29N5O2S/c1-4-5-11-24(20(28)22-12-15-9-7-6-8-10-15)16-17(21)25(13-14(2)3)19(27)23-18(16)26/h6-10,14H,4-5,11-13,21H2,1-3H3,(H,22,28)(H,23,26,27)