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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N(CCC(C)C)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

Isomeric SMILES

CCCNC(=S)N(CCC(C)C)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C20H29N5O2S/c1-4-11-22-20(28)24(12-10-14(2)3)16-17(21)25(19(27)23-18(16)26)13-15-8-6-5-7-9-15/h5-9,14H,4,10-13,21H2,1-3H3,(H,22,28)(H,23,26,27)