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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-1-(3-methoxypropyl)-3-prop-2-enyl-thiourea Openeye Name: 3-allyl-1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-1-(3-methoxypropyl)thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-1-(3-methoxypropyl)-3-prop-2-enylthiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(3-methoxypropyl)-3-prop-2-enylthiourea Traditional Name: 3-allyl-1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-1-(3-methoxypropyl)thiourea Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NCC=C

Isomeric SMILES

COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NCC=C

InChI

InChI=1S/C19H25N5O3S/c1-3-10-21-19(28)23(11-7-12-27-2)15-16(20)24(18(26)22-17(15)25)13-14-8-5-4-6-9-14/h3-6,8-9H,1,7,10-13,20H2,2H3,(H,21,28)(H,22,25,26)