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

Systemtic Name: 3-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]propanenitrile Openeye Name: 3-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]propanenitrile CAS Name: 3-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]propanenitrile IUPAC Name: 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]propanenitrile Traditional Name: 3-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]propionitrile Formula: C16H27N5O2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC#N)C1=C(N(C(=O)NC1=O)CCCC)N

Isomeric SMILES

CCCCCN(CCC#N)C1=C(N(C(=O)NC1=O)CCCC)N

InChI

InChI=1S/C16H27N5O2/c1-3-5-7-10-20(11-8-9-17)13-14(18)21(12-6-4-2)16(23)19-15(13)22/h3-8,10-12,18H2,1-2H3,(H,19,22,23)