N-[3-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-3-oxidanylidene-propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-3-oxidanylidene-propyl]thiophene-2-carboxamide Openeye Name: N-[3-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-3-oxo-propyl]thiophene-2-carboxamide CAS Name: N-[3-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]-3-oxopropyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-3-oxopropyl]thiophene-2-carboxamide Traditional Name: N-[3-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]-3-keto-propyl]thiophene-2-carboxamide Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCNC(=O)C2=CC=CS2

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCNC(=O)C2=CC=CS2

InChI

InChI=1S/C21H31N5O4S/c1-3-5-7-13-25(16(27)10-11-23-19(28)15-9-8-14-31-15)17-18(22)26(12-6-4-2)21(30)24-20(17)29/h8-9,14H,3-7,10-13,22H2,1-2H3,(H,23,28)(H,24,29,30)