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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-(phenylmethyl)-3-prop-2-enyl-thiourea Openeye Name: 3-allyl-1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-benzyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-(phenylmethyl)-3-prop-2-enylthiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-3-prop-2-enylthiourea Traditional Name: 3-allyl-1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-benzyl-thiourea Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=S)NCC=C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=S)NCC=C)N

InChI

InChI=1S/C19H25N5O2S/c1-3-5-12-23-16(20)15(17(25)22-18(23)26)24(19(27)21-11-4-2)13-14-9-7-6-8-10-14/h4,6-10H,2-3,5,11-13,20H2,1H3,(H,21,27)(H,22,25,26)