3-[2-[4-[2,6-bis(diethylamino)-5-ethanoyl-pyrimidin-4-yl]piperazin-1-yl]carbonylpyrrolidin-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[2-[4-[2,6-bis(diethylamino)-5-ethanoyl-pyrimidin-4-yl]piperazin-1-yl]carbonylpyrrolidin-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[2-[4-[5-acetyl-2,6-bis(diethylamino)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-propanenitrile CAS Name: 3-[2-[[4-[5-acetyl-2,6-bis(diethylamino)-4-pyrimidinyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinyl]-3-oxopropanenitrile IUPAC Name: 3-[2-[4-[5-acetyl-2,6-bis(diethylamino)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropanenitrile Traditional Name: 3-[2-[4-[5-acetyl-2,6-bis(diethylamino)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidino]-3-keto-propionitrile Formula: C26H40N8O3 MolecularWeight: 512.6476

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1C(=O)C)N2CCN(CC2)C(=O)C3CCCN3C(=O)CC#N)N(CC)CC

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1C(=O)C)N2CCN(CC2)C(=O)C3CCCN3C(=O)CC#N)N(CC)CC

InChI

InChI=1S/C26H40N8O3/c1-6-30(7-2)23-22(19(5)35)24(29-26(28-23)31(8-3)9-4)32-15-17-33(18-16-32)25(37)20-11-10-14-34(20)21(36)12-13-27/h20H,6-12,14-18H2,1-5H3