N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-butylsulfanyl-N-(3-methoxypropyl)ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-butylsulfanyl-N-(3-methoxypropyl)ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-butylsulfanyl-N-(3-methoxypropyl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(butylthio)-N-(3-methoxypropyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(3-methoxypropyl)acetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-(butylthio)-N-(3-methoxypropyl)acetamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)N(CCCOC)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

Isomeric SMILES

CCCCSCC(=O)N(CCCOC)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C21H30N4O4S/c1-3-4-13-30-15-17(26)24(11-8-12-29-2)18-19(22)25(21(28)23-20(18)27)14-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15,22H2,1-2H3,(H,23,27,28)