N-(3-ethynylphenyl)-6-pyrrolidin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-6-pyrrolidin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-ethynylphenyl)-6-pyrrolidin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-ethynylphenyl)-6-(1-pyrrolidinyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-ethynylphenyl)-6-pyrrolidin-1-ylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-ethynylphenyl)-(6-pyrrolidinopyrimido[5,4-d]pyrimidin-4-yl)amine Formula: C18H16N6 MolecularWeight: 316.35984

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCCC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCCC4

InChI

InChI=1S/C18H16N6/c1-2-13-6-5-7-14(10-13)22-17-16-15(20-12-21-17)11-19-18(23-16)24-8-3-4-9-24/h1,5-7,10-12H,3-4,8-9H2,(H,20,21,22)