3-[2-[4-[2,6-bis(prop-2-enylamino)pyrimidin-4-yl]piperazin-1-yl]carbonylpyrrolidin-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[2-[4-[2,6-bis(prop-2-enylamino)pyrimidin-4-yl]piperazin-1-yl]carbonylpyrrolidin-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[2-[4-[2,6-bis(allylamino)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-propanenitrile CAS Name: 3-[2-[[4-[2,6-bis(prop-2-enylamino)-4-pyrimidinyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinyl]-3-oxopropanenitrile IUPAC Name: 3-[2-[4-[2,6-bis(prop-2-enylamino)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-1-yl]-3-oxopropanenitrile Traditional Name: 3-[2-[4-[2,6-bis(allylamino)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidino]-3-keto-propionitrile Formula: C22H30N8O2 MolecularWeight: 438.526

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3CCCN3C(=O)CC#N)NCC=C

Isomeric SMILES

C=CCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3CCCN3C(=O)CC#N)NCC=C

InChI

InChI=1S/C22H30N8O2/c1-3-9-24-18-16-19(27-22(26-18)25-10-4-2)28-12-14-29(15-13-28)21(32)17-6-5-11-30(17)20(31)7-8-23/h3-4,16-17H,1-2,5-7,9-15H2,(H2,24,25,26,27)