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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-benzyl-1-methyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-benzyl-1-methylthiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-benzyl-1-methyl-thiourea Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=S)NCC2=CC=CC=C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=S)NCC2=CC=CC=C2)N

InChI

InChI=1S/C17H23N5O2S/c1-3-4-10-22-14(18)13(15(23)20-16(22)24)21(2)17(25)19-11-12-8-6-5-7-9-12/h5-9H,3-4,10-11,18H2,1-2H3,(H,19,25)(H,20,23,24)